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CSAR data set release 2012: ligands, affinities, complexes, and docking decoys.
Dunbar JB Jr, Smith RD, Damm-Ganamet KL, Ahmed A, Esposito EX, Delproposto J, Chinnaswamy K, Kang YN, Kubish G, Gestwicki JE, Stuckey JA, Carlson HA. Dunbar JB Jr, et al. Among authors: chinnaswamy k. J Chem Inf Model. 2013 Aug 26;53(8):1842-52. doi: 10.1021/ci4000486. Epub 2013 May 10. J Chem Inf Model. 2013. PMID: 23617227 Free PMC article.
CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
Smith RD, Damm-Ganamet KL, Dunbar JB Jr, Ahmed A, Chinnaswamy K, Delproposto JE, Kubish GM, Tinberg CE, Khare SD, Dou J, Doyle L, Stuckey JA, Baker D, Carlson HA. Smith RD, et al. Among authors: chinnaswamy k. J Chem Inf Model. 2016 Jun 27;56(6):1022-31. doi: 10.1021/acs.jcim.5b00387. Epub 2015 Oct 9. J Chem Inf Model. 2016. PMID: 26419257 Free PMC article.
Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction.
Xu S, Aguilar A, Xu T, Zheng K, Huang L, Stuckey J, Chinnaswamy K, Bernard D, Fernández-Salas E, Liu L, Wang M, McEachern D, Przybranowski S, Foster C, Wang S. Xu S, et al. Among authors: chinnaswamy k. Angew Chem Int Ed Engl. 2018 Feb 5;57(6):1601-1605. doi: 10.1002/anie.201711828. Epub 2018 Jan 15. Angew Chem Int Ed Engl. 2018. PMID: 29284071 Free article.
From proteomics to discovery of first-in-class ST2 inhibitors active in vivo.
Ramadan AM, Daguindau E, Rech JC, Chinnaswamy K, Zhang J, Hura GL, Griesenauer B, Bolten Z, Robida A, Larsen M, Stuckey JA, Yang CY, Paczesny S. Ramadan AM, et al. Among authors: chinnaswamy k. JCI Insight. 2018 Jul 26;3(14):e99208. doi: 10.1172/jci.insight.99208. eCollection 2018 Jul 26. JCI Insight. 2018. PMID: 30046004 Free PMC article.
33 results